TITLE

Accurate universal Gaussian basis set for all atoms of the Periodic Table

AUTHOR(S)
de Castro, E.V.R.; Jorge, F.E.
PUB. DATE
April 1998
SOURCE
Journal of Chemical Physics;4/1/1998, Vol. 108 Issue 13, p5225
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on the application of discretized generator coordinate Hartree-Fock method to generate a universal Gaussian basis set for atoms from hydrogen and lawrencium. Derivation of ground state energy values; Determination of basic function exponents; Integration of GWHF equations through discretization.
ACCESSION #
4163917

 

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